200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89649-01-4
89649-01-4 | Ethanethioic acid, S-(1,2,6-trimethyl-2,5-heptadienyl) ester
CAS No: 89649-01-4 Catalog No: AG003VV5 MDL No:
Product Description
Catalog Number:
AG003VV5
Chemical Name:
Ethanethioic acid, S-(1,2,6-trimethyl-2,5-heptadienyl) ester
CAS Number:
89649-01-4
Molecular Formula:
C12H20OS
Molecular Weight:
212.3516
IUPAC Name:
S-(3,7-dimethylocta-3,6-dien-2-yl) ethanethioate
InChI:
InChI=1S/C12H20OS/c1-9(2)7-6-8-10(3)11(4)14-12(5)13/h7-8,11H,6H2,1-5H3
InChI Key:
MLVODBFDBXIHHX-UHFFFAOYSA-N
SMILES:
CC(=CCC=C(C(SC(=O)C)C)C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.123g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.351g/mol
Monoisotopic Mass:
212.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.